Organoheterocyclic compounds
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Phenyl N-Benzyl-2-amino-4,6-O-benzylidene-2-N,3-O-carbonyl-2-deoxy-1-thio-beta-D-glucopyranoside 97.0+%, TCI America™
CAS: 910805-49-1 Molecular Formula: C27H25NO5S Molecular Weight (g/mol): 475.559 InChI Key: IPBJFGDRNYVDGL-JVIQZWCRSA-N PubChem CID: 101517088 IUPAC Name: (2R,4aR,6S,6aR,9aR,9bS)-7-benzyl-2-phenyl-6-phenylsulfanyl-4,4a,6,6a,9a,9b-hexahydro-[1,3]dioxino[4,5]pyrano[1,2-b][1,3]oxazol-8-one SMILES: C1C2C(C3C(C(O2)SC4=CC=CC=C4)N(C(=O)O3)CC5=CC=CC=C5)OC(O1)C6=CC=CC=C6
| PubChem CID | 101517088 |
|---|---|
| CAS | 910805-49-1 |
| Molecular Weight (g/mol) | 475.559 |
| SMILES | C1C2C(C3C(C(O2)SC4=CC=CC=C4)N(C(=O)O3)CC5=CC=CC=C5)OC(O1)C6=CC=CC=C6 |
| IUPAC Name | (2R,4aR,6S,6aR,9aR,9bS)-7-benzyl-2-phenyl-6-phenylsulfanyl-4,4a,6,6a,9a,9b-hexahydro-[1,3]dioxino[4,5]pyrano[1,2-b][1,3]oxazol-8-one |
| InChI Key | IPBJFGDRNYVDGL-JVIQZWCRSA-N |
| Molecular Formula | C27H25NO5S |
(R,R)-(+)-2,2'-Isopropylidenebis(4-tert-butyl-2-oxazoline) 98.0+%, TCI America™
CAS: 131833-97-1 Molecular Formula: C17H30N2O2 Molecular Weight (g/mol): 294.44 MDL Number: MFCD07368371 InChI Key: DPMGLJUMNRDNMX-UHFFFAOYNA-N Synonym: (R,R)-(+)-2,2′C-(Dimethylmethylene)bis(4-tert-butyl-2-oxazoline), (R,R)-(+)-2,2-Bis(4-tert-butyl-2-oxazolin-2-yl)propane PubChem CID: 688210 IUPAC Name: 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole SMILES: CC(C)(C)C1COC(=N1)C(C)(C)C1=NC(CO1)C(C)(C)C
| PubChem CID | 688210 |
|---|---|
| CAS | 131833-97-1 |
| Molecular Weight (g/mol) | 294.44 |
| MDL Number | MFCD07368371 |
| SMILES | CC(C)(C)C1COC(=N1)C(C)(C)C1=NC(CO1)C(C)(C)C |
| Synonym | (R,R)-(+)-2,2′C-(Dimethylmethylene)bis(4-tert-butyl-2-oxazoline), (R,R)-(+)-2,2-Bis(4-tert-butyl-2-oxazolin-2-yl)propane |
| IUPAC Name | 4-tert-butyl-2-[2-(4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-4,5-dihydro-1,3-oxazole |
| InChI Key | DPMGLJUMNRDNMX-UHFFFAOYNA-N |
| Molecular Formula | C17H30N2O2 |
Isophorone Oxide 97.0+%, TCI America™
CAS: 10276-21-8 Molecular Formula: C9H14O2 Molecular Weight (g/mol): 154.209 MDL Number: MFCD00085465 InChI Key: ROTNQFPVXVZSRL-UHFFFAOYSA-N Synonym: 3,5,5-Trimethyl-2,3-epoxy-1-cyclohexanone, 2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone, 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one PubChem CID: 25121 IUPAC Name: 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one SMILES: CC1(CC(=O)C2C(C1)(O2)C)C
| PubChem CID | 25121 |
|---|---|
| CAS | 10276-21-8 |
| Molecular Weight (g/mol) | 154.209 |
| MDL Number | MFCD00085465 |
| SMILES | CC1(CC(=O)C2C(C1)(O2)C)C |
| Synonym | 3,5,5-Trimethyl-2,3-epoxy-1-cyclohexanone, 2,3-Epoxy-3,5,5-trimethyl-1-cyclohexanone, 4,4,6-Trimethyl-7-oxabicyclo[4.1.0]heptan-2-one |
| IUPAC Name | 4,4,6-trimethyl-7-oxabicyclo[4.1.0]heptan-2-one |
| InChI Key | ROTNQFPVXVZSRL-UHFFFAOYSA-N |
| Molecular Formula | C9H14O2 |
Polyvinylpyrrolidone (insoluble), TCI America™
CAS: 9003-39-8 Molecular Formula: (C6H9NO)n Molecular Weight (g/mol): 111.14 MDL Number: MFCD01076626 InChI Key: WHNWPMSKXPGLAX-UHFFFAOYSA-N Synonym: n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone PubChem CID: 6917 ChEBI: CHEBI:82551 IUPAC Name: 1-ethenylpyrrolidin-2-one SMILES: *-CC(-*)N1CCCC1=O
| PubChem CID | 6917 |
|---|---|
| CAS | 9003-39-8 |
| Molecular Weight (g/mol) | 111.14 |
| ChEBI | CHEBI:82551 |
| MDL Number | MFCD01076626 |
| SMILES | *-CC(-*)N1CCCC1=O |
| Synonym | n-vinyl-2-pyrrolidone,n-vinylpyrrolidone,1-vinyl-2-pyrrolidone,1-vinylpyrrolidin-2-one,n-vinyl-2-pyrrolidinone,vinylpyrrolidone,2-pyrrolidinone, 1-ethenyl,1-vinyl-2-pyrrolidinone,n-vinylpyrrolidinone,1-vinylpyrrolidone |
| IUPAC Name | 1-ethenylpyrrolidin-2-one |
| InChI Key | WHNWPMSKXPGLAX-UHFFFAOYSA-N |
| Molecular Formula | (C6H9NO)n |
Imidazo[1,2-a]pyridine 98.0+%, TCI America™
CAS: 274-76-0 Molecular Formula: C7H6N2 Molecular Weight (g/mol): 118.14 MDL Number: MFCD00005553 InChI Key: UTCSSFWDNNEEBH-UHFFFAOYSA-N Synonym: imidazo 1,2-a pyridine,unii-g18zbv2hxa,1h-imidazo 1,2-a pyridine,g18zbv2hxa,pyrimidazole,1-azaindolizine,1,3a-diazaindene,pubchem17181,imidazo l,2-a pyridine PubChem CID: 78960 IUPAC Name: imidazo[1,2-a]pyridine SMILES: C1=CN2C=CC=CC2=N1
| PubChem CID | 78960 |
|---|---|
| CAS | 274-76-0 |
| Molecular Weight (g/mol) | 118.14 |
| MDL Number | MFCD00005553 |
| SMILES | C1=CN2C=CC=CC2=N1 |
| Synonym | imidazo 1,2-a pyridine,unii-g18zbv2hxa,1h-imidazo 1,2-a pyridine,g18zbv2hxa,pyrimidazole,1-azaindolizine,1,3a-diazaindene,pubchem17181,imidazo l,2-a pyridine |
| IUPAC Name | imidazo[1,2-a]pyridine |
| InChI Key | UTCSSFWDNNEEBH-UHFFFAOYSA-N |
| Molecular Formula | C7H6N2 |
7-Chloro-1,2,3,4-tetrahydro-5H-1-benzazepin-5-one 98.0+%, TCI America™
CAS: 160129-45-3 Molecular Formula: C10H10ClNO Molecular Weight (g/mol): 195.65 MDL Number: MFCD06738694 InChI Key: AHESNFIUAHTYGS-UHFFFAOYSA-N Synonym: 7-Chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one PubChem CID: 22903483 IUPAC Name: 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one SMILES: ClC1=CC2=C(NCCCC2=O)C=C1
| PubChem CID | 22903483 |
|---|---|
| CAS | 160129-45-3 |
| Molecular Weight (g/mol) | 195.65 |
| MDL Number | MFCD06738694 |
| SMILES | ClC1=CC2=C(NCCCC2=O)C=C1 |
| Synonym | 7-Chloro-3,4-dihydro-1H-benzo[b]azepin-5(2H)-one |
| IUPAC Name | 7-chloro-2,3,4,5-tetrahydro-1H-1-benzazepin-5-one |
| InChI Key | AHESNFIUAHTYGS-UHFFFAOYSA-N |
| Molecular Formula | C10H10ClNO |
3-(2-Furyl)acrolein 98.0+%, TCI America™
CAS: 623-30-3 Molecular Formula: C7H6O2 Molecular Weight (g/mol): 122.123 MDL Number: MFCD00003256 InChI Key: VZIRCHXYMBFNFD-HNQUOIGGSA-N Synonym: 3-2-furyl acrolein,2-furanacrolein,e-3-furan-2-yl acrylaldehyde,3-furan-2-yl acrylaldehyde,2-propenal, 3-2-furanyl,trans-3-2-furyl acrolein,beta-2-furylacrolein,3-2-furyl acrylaldehyde,unii-ssq86u3drp,furyl acrolein PubChem CID: 1549521 IUPAC Name: (E)-3-(furan-2-yl)prop-2-enal SMILES: C1=COC(=C1)C=CC=O
| PubChem CID | 1549521 |
|---|---|
| CAS | 623-30-3 |
| Molecular Weight (g/mol) | 122.123 |
| MDL Number | MFCD00003256 |
| SMILES | C1=COC(=C1)C=CC=O |
| Synonym | 3-2-furyl acrolein,2-furanacrolein,e-3-furan-2-yl acrylaldehyde,3-furan-2-yl acrylaldehyde,2-propenal, 3-2-furanyl,trans-3-2-furyl acrolein,beta-2-furylacrolein,3-2-furyl acrylaldehyde,unii-ssq86u3drp,furyl acrolein |
| IUPAC Name | (E)-3-(furan-2-yl)prop-2-enal |
| InChI Key | VZIRCHXYMBFNFD-HNQUOIGGSA-N |
| Molecular Formula | C7H6O2 |
2-Fluoro-1-methylpyridinium p-Toluenesulfonate 98.0+%, TCI America™
CAS: 58086-67-2 Molecular Formula: C13H14FNO3S Molecular Weight (g/mol): 283.317 MDL Number: MFCD00011983 InChI Key: HQWDKLAIDBOLFE-UHFFFAOYSA-M Synonym: 2-fluoro-1-methylpyridinium p-toluenesulfonate,2-fluoro-1-methylpyridin-1-ium 4-methylbenzenesulfonate,2-fluoro-1-methylpyridinium,mukaiyama's reagent,2-fluoro-1-methylpyridinium 4-toluenesulfonate,2-fluoro-1-methylpyridinium p-toluenesulphonate,2-fluoro-n-methylpyridinium toluene-4-sulfonate,2-fluoro-1-methylpyridin-1-ium tosylate,2-fluoro-n-methylpyridiniumtoluene-4-sulphonate,2-fluoro-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate PubChem CID: 171631 IUPAC Name: 2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate SMILES: CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F
| PubChem CID | 171631 |
|---|---|
| CAS | 58086-67-2 |
| Molecular Weight (g/mol) | 283.317 |
| MDL Number | MFCD00011983 |
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)[O-].C[N+]1=CC=CC=C1F |
| Synonym | 2-fluoro-1-methylpyridinium p-toluenesulfonate,2-fluoro-1-methylpyridin-1-ium 4-methylbenzenesulfonate,2-fluoro-1-methylpyridinium,mukaiyama's reagent,2-fluoro-1-methylpyridinium 4-toluenesulfonate,2-fluoro-1-methylpyridinium p-toluenesulphonate,2-fluoro-n-methylpyridinium toluene-4-sulfonate,2-fluoro-1-methylpyridin-1-ium tosylate,2-fluoro-n-methylpyridiniumtoluene-4-sulphonate,2-fluoro-1-methyl-pyridin-1-ium; 4-methylbenzenesulfonate |
| IUPAC Name | 2-fluoro-1-methylpyridin-1-ium;4-methylbenzenesulfonate |
| InChI Key | HQWDKLAIDBOLFE-UHFFFAOYSA-M |
| Molecular Formula | C13H14FNO3S |
2-Fluoropyridine 98.0+%, TCI America™
CAS: 372-48-5 Molecular Formula: C5H4FN Molecular Weight (g/mol): 97.092 MDL Number: MFCD00006224 InChI Key: MTAODLNXWYIKSO-UHFFFAOYSA-N Synonym: pyridine, 2-fluoro,o-fluoropyridine,2-fluoro-pyridine,pyridine, fluoro,ccris 1725,2-fluoranylpyridine,fluoropyridine,2fluoropyridine,2-fluorpyridin,2-fluoro-pyridinium PubChem CID: 9746 IUPAC Name: 2-fluoropyridine SMILES: C1=CC=NC(=C1)F
| PubChem CID | 9746 |
|---|---|
| CAS | 372-48-5 |
| Molecular Weight (g/mol) | 97.092 |
| MDL Number | MFCD00006224 |
| SMILES | C1=CC=NC(=C1)F |
| Synonym | pyridine, 2-fluoro,o-fluoropyridine,2-fluoro-pyridine,pyridine, fluoro,ccris 1725,2-fluoranylpyridine,fluoropyridine,2fluoropyridine,2-fluorpyridin,2-fluoro-pyridinium |
| IUPAC Name | 2-fluoropyridine |
| InChI Key | MTAODLNXWYIKSO-UHFFFAOYSA-N |
| Molecular Formula | C5H4FN |
2-Phenylimidazole 98.0+%, TCI America™
CAS: 670-96-2 Molecular Formula: C9H8N2 Molecular Weight (g/mol): 144.18 MDL Number: MFCD00005186 InChI Key: ZCUJYXPAKHMBAZ-UHFFFAOYSA-N Synonym: 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy PubChem CID: 69591 IUPAC Name: 2-phenyl-1H-imidazole SMILES: N1C=CN=C1C1=CC=CC=C1
| PubChem CID | 69591 |
|---|---|
| CAS | 670-96-2 |
| Molecular Weight (g/mol) | 144.18 |
| MDL Number | MFCD00005186 |
| SMILES | N1C=CN=C1C1=CC=CC=C1 |
| Synonym | 2-phenylimidazole,1h-imidazole, 2-phenyl,imidazole, 2-phenyl,2-phenyl imidazole,2-phenyl-1h-imidazol,unii-7r2590hm4l,chembl14189,phenyl imidazole,2-phenyl-imidazole,piy |
| IUPAC Name | 2-phenyl-1H-imidazole |
| InChI Key | ZCUJYXPAKHMBAZ-UHFFFAOYSA-N |
| Molecular Formula | C9H8N2 |
1H-Imidazole-4,5-dicarboxylic Acid 98.0+%, TCI America™
CAS: 570-22-9 Molecular Formula: C5H4N2O4 Molecular Weight (g/mol): 156.10 MDL Number: MFCD00005200 InChI Key: ZEVWQFWTGHFIDH-UHFFFAOYSA-N Synonym: 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid PubChem CID: 68442 IUPAC Name: 1H-imidazole-4,5-dicarboxylic acid SMILES: OC(=O)C1=C(N=CN1)C(O)=O
| PubChem CID | 68442 |
|---|---|
| CAS | 570-22-9 |
| Molecular Weight (g/mol) | 156.10 |
| MDL Number | MFCD00005200 |
| SMILES | OC(=O)C1=C(N=CN1)C(O)=O |
| Synonym | 4,5-imidazoledicarboxylic acid,imidazole-4,5-dicarboxylic acid,glyoxalinedicarboxylic acid,4,5-dicarboxyimidazole,4,5-imidazoledicarboxylate,glycoxalinedicarboxylic acid,alpha-beta-imidazolecarboxylic acid,alpha,beta-imidazoledicarboxylic acid,4.5-imidazoledicarboxylic acid,4,5-imidazole dicarboxylic acid |
| IUPAC Name | 1H-imidazole-4,5-dicarboxylic acid |
| InChI Key | ZEVWQFWTGHFIDH-UHFFFAOYSA-N |
| Molecular Formula | C5H4N2O4 |
4-Amino-1-isopropylpiperidine 98.0+%, TCI America™
CAS: 127285-08-9 Molecular Formula: C8H18N2 Molecular Weight (g/mol): 142.25 MDL Number: MFCD03411606 InChI Key: ZRQQXFMGYSOKDF-UHFFFAOYSA-N PubChem CID: 3163333 IUPAC Name: 1-(propan-2-yl)piperidin-4-amine SMILES: CC(C)N1CCC(N)CC1
| PubChem CID | 3163333 |
|---|---|
| CAS | 127285-08-9 |
| Molecular Weight (g/mol) | 142.25 |
| MDL Number | MFCD03411606 |
| SMILES | CC(C)N1CCC(N)CC1 |
| IUPAC Name | 1-(propan-2-yl)piperidin-4-amine |
| InChI Key | ZRQQXFMGYSOKDF-UHFFFAOYSA-N |
| Molecular Formula | C8H18N2 |
2-Fluoro-5-iodopyridine 98.0+%, TCI America™
CAS: 171197-80-1 Molecular Formula: C5H3FIN Molecular Weight (g/mol): 222.99 MDL Number: MFCD03095301 InChI Key: GYZNHUNWABYAPO-UHFFFAOYSA-N Synonym: 2-fluoro-5-iodo pyridine,pyridine, 2-fluoro-5-iodo,2-fluoro-5-iodo-pyridine,abbypharma ap-30-0927,pubchem6324,5-iodo-2-fluoropyridine,acmc-1bao4,ksc493k0d,2-fluoro-5-iodopyridine,2-fluoro-5-iodopyridine 1g PubChem CID: 2783179 IUPAC Name: 2-fluoro-5-iodopyridine SMILES: FC1=CC=C(I)C=N1
| PubChem CID | 2783179 |
|---|---|
| CAS | 171197-80-1 |
| Molecular Weight (g/mol) | 222.99 |
| MDL Number | MFCD03095301 |
| SMILES | FC1=CC=C(I)C=N1 |
| Synonym | 2-fluoro-5-iodo pyridine,pyridine, 2-fluoro-5-iodo,2-fluoro-5-iodo-pyridine,abbypharma ap-30-0927,pubchem6324,5-iodo-2-fluoropyridine,acmc-1bao4,ksc493k0d,2-fluoro-5-iodopyridine,2-fluoro-5-iodopyridine 1g |
| IUPAC Name | 2-fluoro-5-iodopyridine |
| InChI Key | GYZNHUNWABYAPO-UHFFFAOYSA-N |
| Molecular Formula | C5H3FIN |
2-Chloro-9H-carbazole 98.0+%, TCI America™
CAS: 10537-08-3 Molecular Formula: C12H8ClN Molecular Weight (g/mol): 201.65 MDL Number: MFCD01444890 InChI Key: LOQQFCPPDBFFSO-UHFFFAOYSA-N PubChem CID: 2752388 IUPAC Name: 2-chloro-9H-carbazole SMILES: ClC1=CC2=C(C=C1)C1=C(N2)C=CC=C1
| PubChem CID | 2752388 |
|---|---|
| CAS | 10537-08-3 |
| Molecular Weight (g/mol) | 201.65 |
| MDL Number | MFCD01444890 |
| SMILES | ClC1=CC2=C(C=C1)C1=C(N2)C=CC=C1 |
| IUPAC Name | 2-chloro-9H-carbazole |
| InChI Key | LOQQFCPPDBFFSO-UHFFFAOYSA-N |
| Molecular Formula | C12H8ClN |
Bismarck Brown, TCI America™
CAS: 10114-58-6 Molecular Formula: C18H20Cl2N8 Molecular Weight (g/mol): 419.314 MDL Number: MFCD00012977 InChI Key: MCZVRBLCRZWFJH-UHFFFAOYSA-N Synonym: basic brown 1,bismark brown y,bismarck brown y,c.i. basic brown 1, dihydrochloride,bismarck brown b,unii-14mub626s2,phenylene brown,manchester brown,1,3-bis 2,3-diaminophenylazo benzene hydrochloride,1,3-benzenediamine, 4,4'-1,3-phenylenebis azo bis-, dihydrochloride PubChem CID: 82360 ChEBI: CHEBI:53615 IUPAC Name: 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine;dihydrochloride SMILES: C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N.Cl.Cl
| PubChem CID | 82360 |
|---|---|
| CAS | 10114-58-6 |
| Molecular Weight (g/mol) | 419.314 |
| ChEBI | CHEBI:53615 |
| MDL Number | MFCD00012977 |
| SMILES | C1=CC(=CC(=C1)N=NC2=C(C=C(C=C2)N)N)N=NC3=C(C=C(C=C3)N)N.Cl.Cl |
| Synonym | basic brown 1,bismark brown y,bismarck brown y,c.i. basic brown 1, dihydrochloride,bismarck brown b,unii-14mub626s2,phenylene brown,manchester brown,1,3-bis 2,3-diaminophenylazo benzene hydrochloride,1,3-benzenediamine, 4,4'-1,3-phenylenebis azo bis-, dihydrochloride |
| IUPAC Name | 4-[[3-[(2,4-diaminophenyl)diazenyl]phenyl]diazenyl]benzene-1,3-diamine;dihydrochloride |
| InChI Key | MCZVRBLCRZWFJH-UHFFFAOYSA-N |
| Molecular Formula | C18H20Cl2N8 |